Table 1. Data collection and refinement statistics.
| Wavelength (Å) | 0.95468 | |
| No. of images | 720 | |
| Oscillation angle (°) | 0.5 | |
| *Resolution range (Å) | 28.75–2.30 (2.42–2.30) | |
| *Total no. of observations | 1086115 (159662) | |
| *Unique reflections | 25314 (3618) | |
| *Redundancy | 42.9 (44.1) | |
| Space group | P6422 | |
| Unit-cell axial lengths (Å) | a = 132.81, b = 132.81, c = 107.16 | |
| angles (°) | α = 90, β = 90, γ = 120 | |
| Molecules per A.U. | 2 | |
| Solvent content (%) | 67.2 | |
| *Completeness (%) | 100 (100) | |
| Wilson Bfactor (Å2) | 57.4 | |
| *Mean I/σ(I) | 32.2 (2.3) | |
| *Rmerge (%) † | 0.11 (2.28) | |
| *Rp.i.m. (%) ◊ | 0.017 (0.35) | |
| *CC Imean § | 1.0 (0.73) | |
| Refinement statistics | ||
| *Resolution range (Å) | 28.75–2.30 (2.42–2.30) | |
| Rwork (%) ‡ | 19.7 | |
| Rfree (%) ‡ | 23.1 | |
| Protein atoms | 2158 | |
| Water molecules | 75 | |
| R.m.s. deviation from ideal geometry | ||
| Bonds (Å) | 0.012 | |
| Angles (°) | 1.29 | |
| Mean B-factor (Å2) | 45.8 | |
| Residues in the Ramachandran plot (MolProbity) | ||
| Most favoured (%) | 97.4 | |
| Outliers (%) | 0 | |
†
Rmerge = ∑hkl∑i |Ii (hkl) -〈I(hkl)〉| /∑hkl∑i Ii (hkl).
◊
Rp.i.m. = ∑hkl [1/(N-1)]1/2 ∑i |Ii (hkl) -〈I(hkl) 〉| /∑hkl∑i Ii (hkl).
‡
R = Σhkl | |Fo(hkl)| - |Fc(hkl)||/Σkhl|Fo (hkl)|. The R value is calculated using 95% of the data selected randomly and used in refinement. R free is calculated from the remaining 5% of the data not used in refinement.
§
Mn(I) half-set correlation CC(1/2) as calculated by SCALA.
*Numbers in parentheses for outermost shell.